Target
Estrogen receptor
Ligand
BDBM50238724
Substrate
n/a
Meas. Tech.
ChEMBL_1664056 (CHEMBL4013737)
Ki
0.180000±n/a nM
Citation
 Min, JGuillen, VSSharma, AZhao, YZiegler, YGong, PMayne, CGSrinivasan, SKim, SHCarlson, KENettles, KWKatzenellenbogen, BSKatzenellenbogen, JA Adamantyl Antiestrogens with Novel Side Chains Reveal a Spectrum of Activities in Suppressing Estrogen Receptor Mediated Activities in Breast Cancer Cells. J Med Chem 60:6321-6336 (2017) [PubMed]  Article 
Target
Name:
Estrogen receptor
Synonyms:
ER | ER-alpha | ESR | ESR1 | ESR1_HUMAN | Estradiol receptor | Estrogen receptor | Estrogen receptor (ER alpha) | Estrogen receptor (ER-alpha) | Estrogen receptor alpha (ER alpha) | Estrogen receptor alpha (ER) | NR3A1 | Nuclear receptor subfamily 3 group A member 1
Type:
Protein
Mol. Mass.:
66230.44
Organism:
Homo sapiens (Human)
Description:
P03372
Residue:
595
Sequence:
MTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPAVYNYPEGAAYEFNAAAAANAQVYGQTGLPYGPGSEAAAFGSNGLGGFPPLNSVSPSPLMLLHPPPQLSPFLQPHGQQVPYYLENEPSGYTVREAGPPAFYRPNSDNRRQGGRERLASTNDKGSMAMESAKETRYCAVCNDYASGYHYGVWSCEGCKAFFKRSIQGHNDYMCPATNQCTIDKNRRKSCQACRLRKCYEVGMMKGGIRKDRRGGRMLKHKRQRDDGEGRGEVGSAGDMRAANLWPSPLMIKRSKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYDLLLEMLDAHRLHAPTSRGGASVEETDQSHLATAGSTSSHSLQKYYITGEAEGFPATV
  
Inhibitor
Name:
BDBM50238724
Synonyms:
CHEMBL4060067
Type:
Small organic molecule
Emp. Form.:
C28H31NO3
Mol. Mass.:
429.5506
SMILES:
OCCNC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:14:15:17:21.19.20,THB:19:18:15:21.20.22,19:20:17.18.24:15,22:20:17:24.23.15,22:23:17:21.19.20,(52.34,-39.29,;53.68,-38.52,;55.01,-39.3,;56.35,-38.53,;57.68,-39.31,;57.67,-40.85,;59.02,-38.54,;60.35,-39.31,;61.69,-38.54,;61.69,-37,;63.02,-36.23,;64.35,-36.99,;64.36,-38.54,;63.02,-39.31,;65.69,-36.22,;67.02,-36.98,;67.03,-38.47,;65.83,-39.74,;67.33,-39.33,;68.74,-39.89,;69.75,-38.61,;68.35,-38.96,;69.76,-37.08,;68.36,-36.51,;67.32,-37.74,;65.68,-34.68,;67.01,-33.91,;67.01,-32.37,;65.67,-31.61,;65.66,-30.07,;64.34,-32.39,;64.35,-33.93,)|
Structure:
Search PDB for entries with ligand similarity: